Hi folks Probably a naïve question, but although I try to work with mmCIF files, occasionally I need to convert coordinates to the legacy PDB format for legacy programs that simply don’t understand mmCIF and never will.
One thing that I need to do is to write the PDB ID into the HEADER line in the PDB file; conventionally, I’d write this into columns 63-66 (as per the documentation), and this is fine while I have an entry like “pdb_00007al9”; however, what should I do if I have an entry like “pdb_00237al9”? I can see that this will probably never have a single correct answer since we should all be using mmCIF anyway, but I wondered what other people might do? I’d be inclined to extend the ID into columns 60 - 63, which would future proof _me_ until I retire properly, but might not work for the young folk who will be working long after that! Thoughts? Harry ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
